- InChI
- InChI=1S/C24H35NO6/c1-2-3-4-5-6-7-8-9-10-11-18-30-23(26)16-13-17-24(27)31-20-21-14-12-15-22(19-21)25(28)29/h10-12,14-15,19H,2-9,13,16-18,20H2,1H3/b11-10+
- InChI Key
- HZGRYQYMLZIQDA-ZHACJKMWSA-N
- Formula
- C24H35NO6
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)OCc
1cccc([N+](=O)[O-])c1 - Molecular Weight1
- 433.54
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 71.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.048 | Crippen Calculated Property | |
| McVol | 353.260 | ml/mol | McGowan Calculated Property |
| Inp | [3344.00; 3344.00] |
|
|
| Inp | 3344.00 | NIST | |
| Inp | 3344.00 | NIST | |
| Tboil | 689.61 | K | Relay (1.0) Calculated Property |
| Tc | 928.79 | K | Relay (1.0) Calculated Property |
| Tfus | 290.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.75; 1167.81] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.59300e+00 | |||
| Coefficient B | 2.15518e+00 | |||
| Coefficient C | -1.21896e-03 | |||
| Coefficient D | 2.28000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 505.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 623.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 728.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 821.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 903.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 974.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1035.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1088.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1131.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1167.81 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 3-nitrobenzyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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